Acetic Acid → 4-Hydroxy-7-phenylsulfanyl-isoquinoline-3-carboxylic acid butyl ester
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9][c:10]([Br:26])[c:11]2[cH:12][c:13]([S:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:14][cH:15][c:16]2[c:17]1[OH:18].[CH3:28][C:29](=[O:30])[OH:31].[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[IH:27]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9][cH:10][c:11]2[cH:12][c:13]([S:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:14][cH:15][c:16]2[c:17]1[OH:18]Participants
5
Sources & evidence
- ORD record
- ord-e8e8b3189d7842adb85c0dc4e98b8e49
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…